SCHEMBL7329419

SCHEMBL7329419

COc1ccc2ccc(S(=O)(=O)N[C@@H](CCCNc3ccccn3)C(=O)N3CCC(C)CC3)cc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 1.00
PRSS1 P07477 8/20 0.61
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7329427 1.00 F2 (1.00) F2PRSS1MEN1KMT2A
SCHEMBL7332316 0.98 F2 (0.97) F2PRSS1MEN1KMT2A
SCHEMBL7332324 0.98 F2 (0.97) F2PRSS1MEN1KMT2A
SCHEMBL7339298 0.94 F2 (0.89) F2PRSS1
SCHEMBL7339302 0.94 F2 (0.89) F2PRSS1
SCHEMBL7331601 0.94 F2 (0.88) F2PRSS1
SCHEMBL7331595 0.94 F2 (0.88) F2PRSS1
SCHEMBL7337590 0.92 F2 (0.84) F2PRSS1
SCHEMBL7337594 0.92 F2 (0.84) F2PRSS1
SCHEMBL7328330 0.90 F2 (1.00) F2PRSS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5371091-A Anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 1994-12-06 US claimed
US-5371091-A Anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 1994-12-06 US disclosed